5NA
2-hydroxy-5-methyl naphthoic acid
Created: | 2009-07-10 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 2-hydroxy-5-methyl naphthoic acid |
Synonyms | 2-hydroxy-5-methylnaphthalene-1-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | 2-hydroxy-5-methyl-naphthalene-1-carboxylic acid |
Formula | C12 H10 O3 |
Molecular Weight | 202.206 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)c1c2c(ccc1O)c(ccc2)C |
SMILES | CACTVS | 3.352 | Cc1cccc2c1ccc(O)c2C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cccc2c1ccc(c2C(=O)O)O |
Canonical SMILES | CACTVS | 3.352 | Cc1cccc2c1ccc(O)c2C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cccc2c1ccc(c2C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C12H10O3/c1-7-3-2-4-9-8(7)5-6-10(13)11(9)12(14)15/h2-6,13H,1H3,(H,14,15) |
InChIKey | InChI | 1.03 | KKMAZNUSFFWQQY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 44182304 |
ChEBI | CHEBI:83434 |